2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

C15H14FNO3S — CID 103825572

IUPAC2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1F
InChIInChI=1S/C15H14FNO3S/c16-12-7-3-4-8-14(12)21(19,20)17-15-11-6-2-1-5-10(11)9-13(15)18/h1-8,13,15,17-18H,9H2/t13-,15+/m0/s1
InChIKeyZMGKUVGNZZBZAR-DZGCQCFKSA-N
MW307.35 g/mol
LogP1.76
Rot. Bonds3

About 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (PubChem CID 103825572) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
PubChem CID103825572
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1F
InChIInChI=1S/C15H14FNO3S/c16-12-7-3-4-8-14(12)21(19,20)17-15-11-6-2-1-5-10(11)9-13(15)18/h1-8,13,15,17-18H,9H2/t13-,15+/m0/s1
InChIKeyZMGKUVGNZZBZAR-DZGCQCFKSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (CID 103825572) is 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The InChIKey is ZMGKUVGNZZBZAR-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-12-7-3-4-8-14(12)21(19,20)17-15-11-6-2-1-5-10(11)9-13(15)18/h1-8,13,15,17-18H,9H2/t13-,15+/m0/s1.
What are the key properties of 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide has a molecular weight of 307.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is sourced from PubChem (CID 103825572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).